4-[[2-(3,4-dimethoxyphenyl)ethanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-(3,4-dimethoxyphenyl)ethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-(3,4-dimethoxyphenyl)acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-(3,4-dimethoxyphenyl)-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-(3,4-dimethoxyphenyl)acetyl]amino]methyl]benzoic acid Traditional Name: 4-[(homoveratroylamino)methyl]benzoic acid Formula: C18H19NO5 MolecularWeight: 329.34716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)NCC2=CC=C(C=C2)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)NCC2=CC=C(C=C2)C(=O)O)OC

InChI

InChI=1S/C18H19NO5/c1-23-15-8-5-13(9-16(15)24-2)10-17(20)19-11-12-3-6-14(7-4-12)18(21)22/h3-9H,10-11H2,1-2H3,(H,19,20)(H,21,22)